Berlin 2024 –
scientific programme
O 108: Electronic Structure Theory II
Friday, March 22, 2024, 10:30–12:30, MA 043
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10:30 |
O 108.1 |
Downfolding approaches to electron-phonon coupling — •Jan Berges, Nina Girotto, Arne Schobert, Erik van Loon, Michael Sentef, Sergey Brener, Mariana Rossi, Tim Wehling, Samuel Poncé, and Nicola Marzari
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10:45 |
O 108.2 |
All-electron Periodic GW Method with Numeric Atom-centered Orbitals: Systematic Benchmark and Application to Temperature-dependent Band Structure — •Min-Ye Zhang, Uthpala Herath, Volker Blum, Xinguo Ren, Hong Jiang, and Matthias Scheffler
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11:00 |
O 108.3 |
A Multimer Embedding Approach for Molecular Crystals up to Anharmonic Vibrational Properties — •Johannes Hoja, Alexander List, and Adrian Daniel Boese
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11:15 |
O 108.4 |
Interpreting ultrafast electron transfer on surfaces with first-principles electronic couplings — •Simiam Ghan, Elias Diesen, Christian Kunkel, Karsten Reuter, and Harald Oberhofer
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11:30 |
O 108.5 |
Efficient Force Implementation for Implicit Solvation in All-Electron Full-Potential DFT — Daniel Waldschmidt, •Jakob Filser, and Harald Oberhofer
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11:45 |
O 108.6 |
A comprehensive exploration of structural and electronic properties of Molybdenum clusters — •Yao Wei, Alejandro Santana Bonilla, and Lev Kantorovich
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12:00 |
O 108.7 |
Benchmark Auxiliary-Field Quantum Monte Carlo Method — •Zoran Sukurma, Martin Schlipf, Moritz Humer, Amir Taheridehkordi, and Georg Kresse
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12:15 |
O 108.8 |
Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids — Amir Taheridehkordi, Martin Schlipf, Zoran Sukurma, •Moritz Humer, and Georg Kresse
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